4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole

C11H21N3 — CID 167175211

IUPAC4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole
SMILESCCn1cc(C(C)(C)CC(C)C)nn1
InChIInChI=1S/C11H21N3/c1-6-14-8-10(12-13-14)11(4,5)7-9(2)3/h8-9H,6-7H2,1-5H3
InChIKeyOKPASWJSZVBHKR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds4

About 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole

4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole (PubChem CID 167175211) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole
PubChem CID167175211
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole
SMILESCCn1cc(C(C)(C)CC(C)C)nn1
InChIInChI=1S/C11H21N3/c1-6-14-8-10(12-13-14)11(4,5)7-9(2)3/h8-9H,6-7H2,1-5H3
InChIKeyOKPASWJSZVBHKR-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole?
The IUPAC name of 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole (CID 167175211) is 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole.
What is the SMILES notation for 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole?
The canonical SMILES for 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole is CCn1cc(C(C)(C)CC(C)C)nn1.
What is the InChIKey of 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole?
The InChIKey is OKPASWJSZVBHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-14-8-10(12-13-14)11(4,5)7-9(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole?
4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole is sourced from PubChem (CID 167175211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).